CCCBDB listing of experimental data page 2

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Property	Value	units	Reference
Hfg(298.15K)	-78.24	kJ mol^-1	webbook
Hfg(0K)		kJ mol^-1	webbook
Entropy (298.15K)	262.46	J K^-1 mol^-1	webbook
Heat Capacity (298.15K)	52.84	J K^-1 mol^-1	webbook

Mode Number	Symmetry	Frequency			Intensity			Comment	Description
Mode Number	Symmetry	Fundamental(cm^-1)	Harmonic(cm^-1)	Reference	(km mol^-1)	unc.	Reference	Comment	Description
1	A₁	2200		Shim
2	A₁	930		Shim
3	A₁	430
4	E	2196
5	E	950
6	E	633

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rSiH	1.481	0.004	1	3			1976Hellwege(II/7)
rSiBr	2.210	0.002	1	2			1976Hellwege(II/7)
aHSiBr	107.9	0.5	2	1	3		1976Hellwege(II/7)

Atom	x (Å)	y (Å)	z (Å)
Si1	0.0000	0.0000	-1.4612
Br2	0.0000	0.0000	0.7488
H3	0.0000	1.4093	-1.9164
H4	1.2205	-0.7047	-1.9164
H5	-1.2205	-0.7047	-1.9164

	Si1	Br2	H3	H4	H5
Si1		2.2100	1.4810	1.4810	1.4810
Br2	2.2100		3.0149	3.0149	3.0149
H3	1.4810	3.0149		2.4410	2.4410
H4	1.4810	3.0149	2.4410		2.4410
H5	1.4810	3.0149	2.4410	2.4410

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	Si1	H3	107.900	Br2	Si1	H4	107.900
Br2	Si1	H5	107.900	H3	Si1	H4	110.996
H3	Si1	H5	110.996	H4	Si1	H5	110.996

State	Config	State description	Conf description	Exp. min.	Dipole (Debye)				Reference	comment	Point Group	Components
State	Config	State description	Conf description	Exp. min.	x	y	z	total	Reference	comment	Point Group	dipole	quadrupole
1	1	¹A₁	C_3v	True			1.319	1.319	1977Dos/Sut:1444	MW μ₀ SiH₃⁸¹Br	C_3v	1	1

squib	reference	DOI
1970Kew/McK:390	R Kewley, PM McKinney, AG Robiette "The Microwave Spectra and Molecular Structures of the Silyl Halides" J. Mol. Spect. 34, 390-398 (1970)	10.1016/0022-2852(70)90022-6
1976Hellwege(II/7)	Hellwege, KH and AM Hellwege (ed.). Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 7: Structure Data of Free Polyatomic Molecules. Springer-Verlag. Berlin. 1976.
1977Dos/Sut:1444	K-F Dossel, DH Sutter "The High Resolution Rotational Spectrum of Silylbromide, SiH3Br" Z. Naturforsch. 32a, 1444-1449 (1977)	10.1515/zna-1977-1217
Shim	Shimanouchi, T. , Tables of Molecular Vibrational Frequencies, Consolidated Volu	10.6028/NBS.NSRDS.39
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

Bond Type	Count
Si-Br	1
H-Si	3

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Experimental data for SiH3Br (bromosilane)

Experimental data for SiH₃Br (bromosilane)